Glycoside
GD067339
Name:
NoneFormula:
C16H21O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)Cc2ccnc(C#N)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1cc(CC(=O)NCCO)ccn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 351.36 | Num_heavy_atoms: | 25 |
| TPSA: | 144.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD32128
Formula: C10H11O2N3
Smiles:
N#Cc1cc(CC(=O)NCCO)ccn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 205.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.01 | NumAromaticRings: | 1 |
